{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.01558 0.813924 0.038097 ] [ 0.163158 0.683564 0.163398 ] [ 0.184993 0.312007 0.208149 ] [ 0.815007 0.312007 0.291851 ] [ 0.836842 0.683564 0.336602 ] [ 0.98442 0.813924 0.461903 ] [ 0.01558 0.186076 0.538097 ] [ 0.163158 0.316436 0.663398 ] [ 0.184993 0.687993 0.708149 ] [ 0.815007 0.687993 0.791851 ] [ 0.836842 0.316436 0.836602 ] [ 0.98442 0.186076 0.961903 ] [ 0.51558 0.313924 0.038097 ] [ 0.663158 0.183564 0.163398 ] [ 0.684993 0.812007 0.208149 ] [ 0.315007 0.812007 0.291851 ] [ 0.336842 0.183564 0.336602 ] [ 0.48442 0.313924 0.461903 ] [ 0.51558 0.686076 0.538097 ] [ 0.663158 0.816436 0.663398 ] [ 0.684993 0.187993 0.708149 ] [ 0.315007 0.187993 0.791851 ] [ 0.336842 0.816436 0.836602 ] [ 0.48442 0.686076 0.961903 ] [ 0.899957 0.995705 0.185227 ] [ 0.241292 0.018607 0.040247 ] [ 0.932162 0.48177 0.134047 ] [ 0.067838 0.48177 0.365953 ] [ 0.758708 0.018607 0.459753 ] [ 0.100043 0.995705 0.314773 ] [ 0.899957 0.004295 0.685227 ] [ 0.241292 0.981393 0.540247 ] [ 0.932162 0.51823 0.634047 ] [ 0.067838 0.51823 0.865953 ] [ 0.758708 0.981393 0.959753 ] [ 0.100043 0.004295 0.814773 ] [ 0.399957 0.495705 0.185227 ] [ 0.741292 0.518607 0.040247 ] [ 0.432162 0.98177 0.134047 ] [ 0.567838 0.98177 0.365953 ] [ 0.258708 0.518607 0.459753 ] [ 0.600043 0.495705 0.314773 ] [ 0.399957 0.504295 0.685227 ] [ 0.741292 0.481393 0.540247 ] [ 0.432162 0.01823 0.634047 ] [ 0.567838 0.01823 0.865953 ] [ 0.258708 0.481393 0.959753 ] [ 0.600043 0.504295 0.814773 ] [ 0.96643 0.008699 0.100099 ] [ 0.837671 0.929183 0.047818 ] [ 0.205527 0.490433 0.076756 ] [ 0.914472 0.333217 0.015848 ] [ 0.948377 0.652702 0.062429 ] [ 0.092503 0.839264 0.203751 ] [ 0.116627 0.159349 0.233809 ] [ 0.236955 0.84443 0.124162 ] [ 0.129641 0.495271 0.26797 ] [ 0.756352 0.671741 0.152723 ] [ 0 0.398825 0.25 ] [ 0.243648 0.671741 0.347277 ] [ 0.870359 0.495271 0.23203 ] [ 0.763045 0.84443 0.375838 ] [ 0.883373 0.159349 0.266191 ] [ 0.907497 0.839264 0.296249 ] [ 0.051623 0.652702 0.437571 ] [ 0.96643 0.991301 0.600099 ] [ 0.837671 0.070817 0.547818 ] [ 0.085528 0.333217 0.484152 ] [ 0.205527 0.509567 0.576756 ] [ 0.794473 0.490433 0.423244 ] [ 0.914472 0.666783 0.515848 ] [ 0.162329 0.929183 0.452182 ] [ 0.03357 0.008699 0.399901 ] [ 0.948377 0.347298 0.562429 ] [ 0.092503 0.160736 0.703751 ] [ 0.116627 0.840651 0.733809 ] [ 0.236955 0.15557 0.624162 ] [ 0.129641 0.504729 0.76797 ] [ 0.756352 0.328259 0.652723 ] [ 0 0.601175 0.75 ] [ 0.243648 0.328259 0.847277 ] [ 0.870359 0.504729 0.73203 ] [ 0.763045 0.15557 0.875838 ] [ 0.883373 0.840651 0.766191 ] [ 0.907497 0.160736 0.796249 ] [ 0.051623 0.347298 0.937571 ] [ 0.085528 0.666783 0.984152 ] [ 0.794473 0.509567 0.923244 ] [ 0.162329 0.070817 0.952182 ] [ 0.03357 0.991301 0.899901 ] [ 0.46643 0.508699 0.100099 ] [ 0.337671 0.429183 0.047818 ] [ 0.705527 0.990433 0.076756 ] [ 0.414472 0.833217 0.015848 ] [ 0.448377 0.152702 0.062429 ] [ 0.592503 0.339264 0.203751 ] [ 0.616627 0.659349 0.233809 ] [ 0.736955 0.34443 0.124162 ] [ 0.629641 0.995271 0.26797 ] [ 0.256352 0.171741 0.152723 ] [ 0.5 0.898825 0.25 ] [ 0.743648 0.171741 0.347277 ] [ 0.370359 0.995271 0.23203 ] [ 0.263045 0.34443 0.375838 ] [ 0.383373 0.659349 0.266191 ] [ 0.407497 0.339264 0.296249 ] [ 0.551623 0.152702 0.437571 ] [ 0.46643 0.491301 0.600099 ] [ 0.337671 0.570817 0.547818 ] [ 0.585528 0.833217 0.484152 ] [ 0.705527 0.009567 0.576756 ] [ 0.294473 0.990433 0.423244 ] [ 0.414472 0.166783 0.515848 ] [ 0.662329 0.429183 0.452182 ] [ 0.53357 0.508699 0.399901 ] [ 0.448377 0.847298 0.562429 ] [ 0.592503 0.660736 0.703751 ] [ 0.616627 0.340651 0.733809 ] [ 0.736955 0.65557 0.624162 ] [ 0.629641 0.004729 0.76797 ] [ 0.256352 0.828259 0.652723 ] [ 0.5 0.101175 0.75 ] [ 0.743648 0.828259 0.847277 ] [ 0.370359 0.004729 0.73203 ] [ 0.263045 0.65557 0.875838 ] [ 0.383373 0.340651 0.766191 ] [ 0.407497 0.660736 0.796249 ] [ 0.551623 0.847298 0.937571 ] [ 0.585528 0.166783 0.984152 ] [ 0.294473 0.009567 0.923244 ] [ 0.662329 0.570817 0.952182 ] [ 0.53357 0.491301 0.899901 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.60174268 "source-unit" "angstrom" } "b" { "source-value" 8.58392172 "source-unit" "angstrom" } "c" { "source-value" 9.75856273 "source-unit" "angstrom" } "beta" { "source-value" 99.66914707 "source-unit" "degree" } }