{ "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" [ [ 0.8683879000000002 3.786861600000001 1.3454797000000003 ] [ 10.684117500000001 -11.320109300000002 -11.703984000000002 ] [ -9.391995600000001 12.680939100000003 14.126204600000003 ] [ 0.015906600000000003 -7.288811300000002 0.08767700000000002 ] [ -1.2962123000000003 1.5077988000000004 3.349378000000001 ] [ -0.17275340000000003 -0.6752593000000001 1.5801388000000005 ] [ -1.2556682000000001 2.9799857000000003 -4.661271200000001 ] [ 0.5482176000000001 -1.6714053000000004 -4.123623000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.391310802628329e-09 6.067221171711855e-09 2.15569613686133e-09 ] [ 1.711784341341049e-08 -1.81368146147861e-08 -1.875184968950986e-08 ] [ -1.504763589695081e-08 2.031710432319699e-08 2.263267493722332e-08 ] [ 2.54851828463844e-11 -1.167796315449517e-08 1.40474040739218e-10 ] [ -2.076761059763399e-09 2.41576000613324e-09 5.366295170033653e-09 ] [ -2.767814609240556e-10 -1.081884672351196e-09 2.5316614638368e-09 ] [ -2.011802250096839e-09 4.774463458194134e-09 -7.468179801377142e-09 ] [ 8.783414290675584e-10 -2.67788651760376e-09 -6.606772418024984e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.621152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.906049424056236e-18 } }