{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5171263 -5.0505597 1.1187095 ] [ 2.9756515 -3.169764 8.2231541 ] [ 1.8172883 -1.8294334 -3.6432131 ] [ 0.686869 -0.9831504 3.9094242 ] [ -7.4198169 7.3128198 -5.7713731 ] [ -1.3789088 2.6983667 2.0719782 ] [ 0.3766698 1.2653422 -3.2401227 ] [ 3.4593734 -0.2436211 -2.6685571 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.285276746868742e-10 -8.09188873996205e-09 1.792370221133823e-09 ] [ 4.767519304227051e-09 -5.078521816094376e-09 1.31749453568013e-08 ] [ 2.911616851501582e-09 -2.931075446939176e-09 -5.837070901502705e-09 ] [ 1.100485462418946e-09 -1.575180598587753e-09 6.263588105634142e-09 ] [ -1.188785726573831e-08 1.171642901221255e-08 -9.246759126916144e-09 ] [ -2.209255459776979e-09 4.323260076703687e-09 3.319675058197379e-09 ] [ 6.034915522934532e-10 2.027301706854155e-09 -5.191248881232992e-09 ] [ 5.542527229761136e-09 -3.903240339693774e-10 -4.275499832114801e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.545736398437519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.680896007899907e-19 } }