{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9576603 -1.6587921 0.4210128 ] [ 0.3787053 -0.5009469 -0.7252109 ] [ -0.9179188 -0.4097742 2.2670633 ] [ -1.3990556 -2.3428405 1.6481622 ] [ 1.9270243 3.0057214 0.4671721 ] [ -0.8672445 1.2246602 0.2729228 ] [ 0.6627062 -1.3454604 -1.9391875 ] [ 1.1734435 2.0274325 -2.4119347 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.53434095596943e-09 -2.657677943283791e-09 6.745368707749151e-10 ] [ 6.067527828319601e-10 -8.026054180547345e-10 -1.16191595870211e-09 ] [ -1.470668053269319e-09 -6.565306484560427e-10 3.632235847058932e-09 ] [ -2.241534191986851e-09 -3.753644306288876e-09 2.640646965882035e-09 ] [ 3.087433306610206e-09 4.815696595393768e-09 7.484922226767113e-10 ] [ -1.389478873865013e-09 1.962121957029766e-09 4.372705330458552e-10 ] [ 1.061772388846931e-09 -2.155665214852293e-09 -3.106920901444875e-09 ] [ 1.880063757019179e-09 3.248304978512205e-09 -3.8643454190738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -325.24946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.211070850331176e-17 } }