{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.24469020000000005 4.538922000000001 0.7284231000000001 ] [ 1.1455581000000001 -4.6547160000000005 -5.209567200000001 ] [ -1.2835518000000001 3.5047561000000007 5.107895300000001 ] [ 0.9184799000000002 -4.489980500000001 0.24030380000000007 ] [ -0.6729709000000001 1.5205425000000004 3.0283192000000008 ] [ -0.24013650000000006 -1.2255342000000002 2.6901265000000003 ] [ 0.3298360000000001 2.2015066000000005 -3.1954640000000007 ] [ -0.4419049000000001 -1.3954965000000001 -3.390036500000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.920369210087868e-10 7.27215477194855e-09 1.167062470485845e-09 ] [ 1.835386420709436e-09 -7.457677213105945e-09 -8.346646841092806e-09 ] [ -2.056476702488641e-09 5.615238331288968e-09 8.183750498578421e-09 ] [ 1.471567034578657e-09 -7.193741844215637e-09 3.850091334214093e-10 ] [ -1.078218251341951e-09 2.436177664503946e-09 4.851902262533573e-09 ] [ -3.847410892705411e-10 -1.963522259407883e-09 4.310057820804202e-09 ] [ 5.28455532252024e-10 3.527202434116785e-09 -5.119697755588177e-09 ] [ -7.080097052301067e-10 -2.235831885128781e-09 -5.431437268707142e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.339117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.021080098759218e-18 } }