{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5572419000000001 -0.14938290000000004 -1.3188083000000002 ] [ -2.1230630000000006 -0.7399759000000001 1.1926060000000003 ] [ 0.4577424000000001 -1.9572855000000005 -0.7521066000000002 ] [ -1.2957122000000003 -1.0631932000000002 2.4526382000000004 ] [ 1.0240543000000002 1.1454278000000002 -1.8858300000000003 ] [ -0.19652260000000005 1.7116431000000005 2.9494473000000005 ] [ 1.7092688000000005 0.4232667000000001 -1.2759985000000003 ] [ -0.13300960000000003 0.6294998000000002 -1.3619481000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.927999443101717e-10 -2.393377899273044e-10 -2.112963825576993e-09 ] [ -3.401521903085511e-09 -1.185572086935439e-09 1.910765451025806e-09 ] [ 7.333841716288821e-10 -3.135917068330839e-09 -1.205007610869378e-09 ] [ -2.075959794125334e-09 -1.703423288433539e-09 3.929559583320995e-09 ] [ 1.64071585788971e-09 1.835177641974378e-09 -3.021432736803264e-09 ] [ -3.148639151788301e-10 2.742354557973637e-09 4.725535508341684e-09 ] [ 2.738550510022872e-09 6.781480111031675e-10 -2.044374964875869e-09 ] [ -2.131048714619597e-10 1.008569862358276e-09 -2.182081404562981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.82502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.419365624209242e-18 } }