{ "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" [ [ 0.21439 0.840426 0.219151 ] [ 0.28561 0.340426 0.280849 ] [ 0.78561 0.159574 0.780849 ] [ 0.71439 0.659574 0.719151 ] [ 0.186342 0.851327 0.887766 ] [ 0.813658 0.148673 0.112234 ] [ 0.313658 0.351327 0.612234 ] [ 0.686342 0.648673 0.387766 ] [ 0.190127 0.697163 0.517961 ] [ 0.309873 0.197163 0.982039 ] [ 0.809873 0.302837 0.482039 ] [ 0.690127 0.802837 0.017961 ] [ 0.748444 0.037057 0.335532 ] [ 0.248444 0.462943 0.835532 ] [ 0.251556 0.962943 0.664468 ] [ 0.751556 0.537057 0.164468 ] [ 0.30818 0.684075 0.409491 ] [ 0.19182 0.184075 0.090509 ] [ 0.69182 0.315925 0.590509 ] [ 0.80818 0.815925 0.909491 ] [ 0.4061 0.833416 0.021505 ] [ 0.0939 0.333416 0.478495 ] [ 0.5939 0.166584 0.978495 ] [ 0.9061 0.666584 0.521505 ] [ 0.016773 0.561486 0.20647 ] [ 0.483227 0.061486 0.29353 ] [ 0.983227 0.438514 0.79353 ] [ 0.516773 0.938514 0.70647 ] [ 0.735646 0.616346 0.049677 ] [ 0.764354 0.116346 0.450323 ] [ 0.264354 0.383654 0.950323 ] [ 0.235646 0.883654 0.549677 ] [ 0.324834 0.637759 0.848226 ] [ 0.175166 0.137759 0.651774 ] [ 0.675166 0.362241 0.151774 ] [ 0.824834 0.862241 0.348226 ] [ 0.330235 0.596352 0.600685 ] [ 0.169765 0.096352 0.899315 ] [ 0.556275 0.621709 0.234005 ] [ 0.830235 0.903648 0.100685 ] [ 0.056275 0.878291 0.734005 ] [ 0.443725 0.378291 0.765995 ] [ 0.943725 0.121709 0.265995 ] [ 0.669765 0.403648 0.399315 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "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" 5.33569543923 "source-unit" "angstrom" } "b" { "source-value" 8.35513589 "source-unit" "angstrom" } "c" { "source-value" 12.813992941 "source-unit" "angstrom" } "beta" { "source-value" 90.3510869505 "source-unit" "degree" } }