{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6296663 2.5239367 2.7433779 ] [ -0.8987659 0.9703825 -0.6679664 ] [ 0.3372074 -0.6993525 -1.2795002 ] [ 2.251728 -1.3127874 -2.2840454 ] [ -0.250307 0.7854872 1.5288287 ] [ 0.9543203 -2.1338648 -1.5194875 ] [ -0.8900316 1.4154354 3.0960626 ] [ 0.125515 -1.5492372 -1.6172697 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.611013245565639e-09 4.043792373119104e-09 4.395375933399401e-09 ] [ -1.439981712552271e-09 1.554724154733456e-09 -1.070200149559941e-09 ] [ 5.402658126407539e-10 -1.120486225198032e-09 -2.049985306748924e-09 ] [ 3.607665958000743e-09 -2.103317280360818e-09 -3.659444140725784e-09 ] [ -4.010360234225856e-10 1.258489227777654e-09 2.449453600348057e-09 ] [ 1.528989673414842e-09 -3.418828294508068e-09 -2.43448734809784e-09 ] [ -1.425987821293217e-09 2.267777506132696e-09 4.960439114253263e-09 ] [ 2.01097198559712e-10 -2.482151621913654e-09 -2.59115170286823e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.888343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.749946411385134e-18 } }