{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.884739 0.455157 0.266579 ] [ 0.615261 0.544843 0.766579 ] [ 0.115261 0.955157 0.233421 ] [ 0.384739 0.044843 0.733421 ] [ 0.676904 0.245414 0.548131 ] [ 0.823096 0.754586 0.048131 ] [ 0.323096 0.745414 0.951869 ] [ 0.176904 0.254586 0.451869 ] [ 0.404865 0.475367 0.371642 ] [ 0.095135 0.524633 0.871642 ] [ 0.595135 0.975367 0.128358 ] [ 0.904865 0.024633 0.628358 ] [ 0.363264 0.314653 0.099547 ] [ 0.136736 0.685347 0.599547 ] [ 0.636736 0.814653 0.400453 ] [ 0.863264 0.185347 0.900453 ] [ 0.435577 0.312744 0.51017 ] [ 0.224859 0.319098 0.234859 ] [ 0.915542 0.357312 0.939343 ] [ 0.298953 0.394395 0.947288 ] [ 0.519017 0.418068 0.167497 ] [ 0.980983 0.581932 0.667497 ] [ 0.201047 0.605605 0.447288 ] [ 0.584458 0.642688 0.439343 ] [ 0.275141 0.680902 0.734859 ] [ 0.064423 0.687256 0.01017 ] [ 0.564423 0.812744 0.98983 ] [ 0.775141 0.819098 0.265141 ] [ 0.084458 0.857312 0.560657 ] [ 0.701047 0.894395 0.552712 ] [ 0.480983 0.918068 0.332503 ] [ 0.019017 0.081932 0.832503 ] [ 0.798953 0.105605 0.052712 ] [ 0.415542 0.142688 0.060657 ] [ 0.724859 0.180902 0.765141 ] [ 0.935577 0.187256 0.48983 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "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" 7.57328907 "source-unit" "angstrom" } "b" { "source-value" 8.40474804 "source-unit" "angstrom" } "c" { "source-value" 8.59819636 "source-unit" "angstrom" } }