{ "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" [ [ 0.27216550000000006 -0.028959500000000006 -0.5440774000000002 ] [ -1.1987029000000002 -0.5675246000000002 0.7342697000000001 ] [ 0.3789654000000001 -1.1250317000000003 -0.04845520000000001 ] [ -0.9098169000000003 -0.7139979000000001 1.4635776000000003 ] [ 0.4645005000000001 0.8457607000000003 -1.0121664000000001 ] [ 0.06367660000000001 0.9575110000000002 1.3207975000000003 ] [ 1.1060227000000002 0.4244604000000001 -0.8963932000000002 ] [ -0.17681090000000002 0.20778150000000006 -1.0175527000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.360572010883426e-10 -4.639823385005761e-11 -8.717080901856502e-10 ] [ -1.920533761665161e-09 -9.09274645848872e-10 1.17642974670183e-09 ] [ 6.071695039721206e-10 -1.80249948739888e-09 -7.763378859618819e-11 ] [ -1.457687366388732e-09 -1.143950742680296e-09 2.344909813446574e-09 ] [ 7.442118414499106e-10 1.355058020331443e-09 -1.621669342439301e-09 ] [ 1.020211598120333e-10 1.534101738358829e-09 2.116150875311088e-09 ] [ 1.772043712014093e-09 6.800605293354165e-10 -1.436180228084099e-09 ] [ -2.832822902826068e-10 3.329026615347553e-10 -1.630299146371917e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.51904124065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806859829460725e-18 } }