{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.315642 0.624408 0.432141 ] [ 0.453512 0.904944 0.824562 ] [ 0.944175 0.879024 0.322656 ] [ 0.175733 0.363945 0.051252 ] [ 0.680647 0.365646 0.586979 ] [ 0.799892 0.594357 0.936895 ] [ 0.070113 0.126599 0.693519 ] [ 0.563468 0.14202 0.173595 ] [ 0.997182 0.999238 0.000746 ] [ 0.501449 0.000765 0.50112 ] [ 0.624632 0.250884 0.875821 ] [ 0.748251 0.500464 0.250442 ] [ 0.250279 0.503449 0.75203 ] [ 0.880082 0.747526 0.629551 ] [ 0.369079 0.753085 0.12132 ] [ 0.120462 0.247388 0.375276 ] [ 0.147066 0.896131 0.548319 ] [ 0.998393 0.855516 0.817549 ] [ 0.795343 0.659722 0.426577 ] [ 0.659199 0.880986 0.618774 ] [ 0.549209 0.604995 0.136823 ] [ 0.402266 0.3701 0.288735 ] [ 0.649124 0.882687 0.038129 ] [ 0.507876 0.858399 0.312717 ] [ 0.25691 0.656323 0.928169 ] [ 0.900598 0.371755 0.367325 ] [ 0.070807 0.627047 0.189528 ] [ 0.168167 0.89087 0.116292 ] [ 0.903935 0.395054 0.795641 ] [ 0.079209 0.620755 0.649443 ] [ 0.840837 0.114861 0.890055 ] [ 0.76094 0.360749 0.073034 ] [ 0.50218 0.148649 0.674866 ] [ 0.409681 0.389687 0.862102 ] [ 0.598791 0.603322 0.695044 ] [ 0.344727 0.115122 0.962493 ] [ 0.328845 0.110431 0.378604 ] [ 0.240045 0.345462 0.569123 ] [ 0.989564 0.144451 0.183368 ] [ 0.857641 0.106562 0.460437 ] ] } "species" { "source-value" [ "Ba" "La" "La" "La" "La" "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "Mg" "Nb" "Nb" "Nb" "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" 5.71796632 "source-unit" "angstrom" } "b" { "source-value" 9.87422976 "source-unit" "angstrom" } "c" { "source-value" 9.91069246 "source-unit" "angstrom" } "alpha" { "source-value" 99.72159135 "source-unit" "degree" } "beta" { "source-value" 89.96407013 "source-unit" "degree" } "gamma" { "source-value" 106.7677436 "source-unit" "degree" } }