{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2882515999999997 2.8372183999999994 -1.2624962999999998 ] [ 0.5931113999999998 -1.1992882999999999 -0.6517386999999999 ] [ -1.0299995999999998 2.6004033999999994 0.09827319999999998 ] [ -0.32492499999999996 -1.6385890999999995 0.4438500999999999 ] [ -0.7221869999999999 0.4221335999999999 -0.17684479999999997 ] [ 1.4134342999999998 -1.7225294999999996 0.5068107999999999 ] [ -2.5169470999999994 0.4242984999999999 -1.4404077999999998 ] [ 1.2992612999999997 -1.7236469999999995 2.4825535999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.064006612233114e-09 4.545725026034864e-09 -2.022742072371454e-09 ] [ 9.502692264390271e-10 -1.921471691689582e-09 -1.044200516613536e-09 ] [ -1.650241292149346e-09 4.166305566454154e-09 1.574510247884088e-10 ] [ -5.205872428024498e-10 -2.625309168747088e-09 7.111262592185632e-10 ] [ -1.157071136778558e-09 6.763325903463022e-10 -2.833366064044031e-10 ] [ 2.264571409154146e-09 -2.759796516275702e-09 8.12000421618847e-10 ] [ -4.03259383263406e-09 6.798011425412487e-10 -2.307787720591345e-09 ] [ 2.081646096320463e-09 -2.761586948664197e-09 3.977489370572582e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.011265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.769640734378201e-18 } }