{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9758507 -5.8401257 2.1860627 ] [ -3.7299955 4.6300596 7.2664262 ] [ 6.2906335 -1.8277361 -4.5065159 ] [ -2.3090152 -0.1114562 -1.8455348 ] [ 1.3850942 1.1885699 -0.1786532 ] [ -7.686853 3.7944499 -6.8747485 ] [ 4.7301455 0.80789 1.984072 ] [ -2.6558603 -2.6416513 1.9688915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.370015091812543e-09 -9.356912936162893e-09 3.502458578398952e-09 ] [ -5.976111635025146e-09 7.418173305147386e-09 1.164209827032541e-08 ] [ 1.007870600675764e-08 -2.928356072538287e-09 -7.22023447572948e-09 ] [ -3.699450200990836e-09 -1.785725193544308e-10 -2.956872733793863e-09 ] [ 2.219165563128923e-09 1.904298921655716e-09 -2.862339826293288e-10 ] [ -1.23156962655928e-08 6.079378968663636e-09 -1.101456141132655e-08 ] [ 7.578528595520246e-09 1.29438248084226e-09 3.178833798573648e-09 ] [ -4.25515731582823e-09 -4.232391988035724e-09 3.154511956181211e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.135183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.988406269791402e-18 } }