{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8289486999999998 2.1097410999999995 -0.8056744999999997 ] [ 0.4017297999999999 -0.8294717999999998 -0.4437765999999999 ] [ -0.8122678999999998 1.9652193999999996 -0.06180009999999998 ] [ -0.21183019999999994 -1.2376184999999997 0.32447399999999993 ] [ -0.4877033999999999 0.29248749999999996 -0.12708779999999997 ] [ 1.0237223999999998 -1.3151739999999998 0.4125275999999999 ] [ -1.7676069999999995 0.3994218999999999 -1.0153044999999998 ] [ 1.0250075999999997 -1.3846055999999998 1.7166418999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.328122226982553e-09 3.380177866360874e-09 -1.290832847874729e-09 ] [ 6.436420934386598e-10 -1.328960325572893e-09 -7.110084933781132e-10 ] [ -1.301396639206312e-09 3.148628577422603e-09 -9.901467538310206e-11 ] [ -3.393893940193881e-10 -1.982883426169564e-09 5.198646568574591e-10 ] [ -7.813869853646706e-10 4.686166343762399e-10 -2.036171019489062e-10 ] [ 1.640184095469266e-09 -2.107141035084019e-09 6.609420761547339e-10 ] [ -2.832018610162425e-09 6.399444300155154e-10 -1.626697132893033e-09 ] [ 1.642243212862317e-09 -2.218382721348757e-09 2.750363518465691e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.038724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.332081144906386e-18 } }