{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.401356 0.961475 0.69836 ] [ 0.598644 0.461475 0.80164 ] [ 0.598644 0.038525 0.30164 ] [ 0.401356 0.538525 0.19836 ] [ 0.237494 0.248017 0.677491 ] [ 0.762506 0.748017 0.822509 ] [ 0.762506 0.751983 0.322509 ] [ 0.237494 0.251983 0.177491 ] [ 0.393305 0.284462 0.653218 ] [ 0.606695 0.784462 0.846782 ] [ 0.606695 0.715538 0.346782 ] [ 0.393305 0.215538 0.153218 ] [ 0.343691 0.406969 0.716355 ] [ 0.656309 0.906969 0.783645 ] [ 0.656309 0.593031 0.283645 ] [ 0.343691 0.093031 0.216355 ] [ 0.173132 0.463132 0.671717 ] [ 0.826868 0.963132 0.828283 ] [ 0.826868 0.536868 0.328283 ] [ 0.173132 0.036868 0.171717 ] [ 0.223529 0.342337 0.608627 ] [ 0.776471 0.842337 0.891373 ] [ 0.776471 0.657663 0.391373 ] [ 0.223529 0.157663 0.108627 ] [ 0.466692 0.503117 0.674381 ] [ 0.533308 0.003117 0.825619 ] [ 0.533308 0.496883 0.325619 ] [ 0.466692 0.996883 0.174381 ] [ 0.311321 0.630439 0.687117 ] [ 0.688679 0.130439 0.812883 ] [ 0.688679 0.369561 0.312883 ] [ 0.311321 0.869561 0.187117 ] [ 0.225836 0.584641 0.611212 ] [ 0.774164 0.084641 0.888788 ] [ 0.774164 0.415359 0.388788 ] [ 0.225836 0.915359 0.111212 ] [ 0.382053 0.45922 0.598204 ] [ 0.617947 0.95922 0.901796 ] [ 0.617947 0.54078 0.401796 ] [ 0.382053 0.04078 0.098204 ] [ 0.392876 0.669687 0.627956 ] [ 0.607124 0.169687 0.872044 ] [ 0.607124 0.330313 0.372044 ] [ 0.392876 0.830313 0.127956 ] [ 0.025216 0.711132 0.883728 ] [ 0.974784 0.211132 0.616272 ] [ 0.974784 0.288868 0.116272 ] [ 0.025216 0.788868 0.383728 ] [ 0.085477 0.014651 0.936284 ] [ 0.914523 0.514651 0.563716 ] [ 0.914523 0.985349 0.063716 ] [ 0.085477 0.485349 0.436284 ] [ 0.970845 0.384917 0.835553 ] [ 0.029155 0.884917 0.664447 ] [ 0.029155 0.615083 0.164447 ] [ 0.970845 0.115083 0.335553 ] [ 0.348526 0.427917 0.937075 ] [ 0.651474 0.927917 0.562925 ] [ 0.651474 0.572083 0.062925 ] [ 0.348526 0.072083 0.437075 ] [ 0.181869 0.117604 0.694761 ] [ 0.818131 0.617604 0.805239 ] [ 0.818131 0.882396 0.305239 ] [ 0.181869 0.382396 0.194761 ] [ 0.481624 0.169345 0.648212 ] [ 0.518376 0.669345 0.851788 ] [ 0.518376 0.830655 0.351788 ] [ 0.481624 0.330655 0.148212 ] [ 0.373938 0.38266 0.769156 ] [ 0.626062 0.88266 0.730844 ] [ 0.626062 0.61734 0.230844 ] [ 0.373938 0.11734 0.269156 ] [ 0.060537 0.492741 0.686139 ] [ 0.939463 0.992741 0.813861 ] [ 0.939463 0.507259 0.313861 ] [ 0.060537 0.007259 0.186139 ] [ 0.154871 0.271585 0.56603 ] [ 0.845129 0.771585 0.93397 ] [ 0.845129 0.728415 0.43397 ] [ 0.154871 0.228415 0.06603 ] [ 0.590351 0.513526 0.694856 ] [ 0.409649 0.013526 0.805144 ] [ 0.409649 0.486474 0.305144 ] [ 0.590351 0.986474 0.194856 ] [ 0.290432 0.741169 0.724255 ] [ 0.709568 0.241169 0.775745 ] [ 0.709568 0.258831 0.275745 ] [ 0.290432 0.758831 0.224255 ] [ 0.138404 0.667401 0.578302 ] [ 0.861596 0.167401 0.921698 ] [ 0.861596 0.332599 0.421698 ] [ 0.138404 0.832599 0.078302 ] [ 0.435166 0.436706 0.55499 ] [ 0.564834 0.936706 0.94501 ] [ 0.564834 0.563294 0.44501 ] [ 0.435166 0.063294 0.05499 ] [ 0.443202 0.798393 0.607598 ] [ 0.556798 0.298393 0.892402 ] [ 0.556798 0.201607 0.392402 ] [ 0.443202 0.701607 0.107598 ] [ 0.328443 0.798922 0.896174 ] [ 0.671557 0.298922 0.603826 ] [ 0.671557 0.201078 0.103826 ] [ 0.328443 0.701078 0.396174 ] [ 0.188038 0.900975 0.848005 ] [ 0.811962 0.400975 0.651995 ] [ 0.811962 0.099025 0.151995 ] [ 0.188038 0.599025 0.348005 ] [ 0.231291 0.919989 0.985153 ] [ 0.768709 0.419989 0.514847 ] [ 0.768709 0.080011 0.014847 ] [ 0.231291 0.580011 0.485153 ] [ 0.260908 0.090795 0.935718 ] [ 0.739092 0.590795 0.564282 ] [ 0.739092 0.909205 0.064282 ] [ 0.260908 0.409205 0.435718 ] [ 0.268748 0.547329 0.840078 ] [ 0.731252 0.047329 0.659922 ] [ 0.731252 0.452671 0.159922 ] [ 0.268748 0.952671 0.340078 ] [ 0.115712 0.644028 0.798528 ] [ 0.884288 0.144028 0.701472 ] [ 0.884288 0.355972 0.201472 ] [ 0.115712 0.855972 0.298528 ] [ 0.096813 0.314402 0.791931 ] [ 0.903187 0.814402 0.708069 ] [ 0.903187 0.685598 0.208069 ] [ 0.096813 0.185598 0.291931 ] [ 0.135127 0.2891 0.869249 ] [ 0.864873 0.7891 0.630751 ] [ 0.864873 0.7109 0.130751 ] [ 0.135127 0.2109 0.369249 ] [ 0.117687 0.660179 0.980268 ] [ 0.882313 0.160179 0.519732 ] [ 0.882313 0.339821 0.019732 ] [ 0.117687 0.839821 0.480268 ] [ 0.083451 0.453911 0.942105 ] [ 0.916549 0.953911 0.557895 ] [ 0.916549 0.546089 0.057895 ] [ 0.083451 0.046089 0.442105 ] [ 0.375725 0.631086 0.978715 ] [ 0.624275 0.131086 0.521285 ] [ 0.624275 0.368914 0.021285 ] [ 0.375725 0.868914 0.478715 ] [ 0.309933 0.43756 0.01022 ] [ 0.690067 0.93756 0.48978 ] [ 0.690067 0.56244 0.98978 ] [ 0.309933 0.06244 0.51022 ] [ 0.218034 0.841311 0.891983 ] [ 0.781966 0.341311 0.608017 ] [ 0.781966 0.158689 0.108017 ] [ 0.218034 0.658689 0.391983 ] [ 0.19598 0.971717 0.940404 ] [ 0.80402 0.471717 0.559596 ] [ 0.80402 0.028283 0.059596 ] [ 0.19598 0.528283 0.440404 ] [ 0.154324 0.5607 0.837351 ] [ 0.845676 0.0607 0.662649 ] [ 0.845676 0.4393 0.162649 ] [ 0.154324 0.9393 0.337351 ] [ 0.084102 0.377767 0.833951 ] [ 0.915898 0.877767 0.666049 ] [ 0.915898 0.622233 0.166049 ] [ 0.084102 0.122233 0.333951 ] [ 0.154581 0.570097 0.948168 ] [ 0.845419 0.070097 0.551832 ] [ 0.845419 0.429903 0.051832 ] [ 0.154581 0.929903 0.448168 ] [ 0.306205 0.513987 0.969006 ] [ 0.693795 0.013987 0.530994 ] [ 0.693795 0.486013 0.030994 ] [ 0.306205 0.986013 0.469006 ] [ 0.130168 0.671862 0.890331 ] [ 0.869832 0.171862 0.609669 ] [ 0.869832 0.328138 0.109669 ] [ 0.130168 0.828138 0.390331 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.61145205 "source-unit" "angstrom" } "b" { "source-value" 7.43340421 "source-unit" "angstrom" } "c" { "source-value" 22.9580965 "source-unit" "angstrom" } "beta" { "source-value" 99.41237835 "source-unit" "degree" } }