{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0903767 2.3297243 -0.0724785 ] [ -2.971188 0.2253638 -0.905697 ] [ 10.5240544 10.3420878 -8.765727 ] [ -2.9512658 -2.5171361 -0.6080214 ] [ -0.180577 1.5462996 -0.1472822 ] [ -10.1607321 -8.0165308 10.7897501 ] [ 1.1144338 -1.5715838 -0.151729 ] [ 1.534898 -2.3382249 -0.1388151 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.951329338998028e-09 3.732629837122006e-09 -1.16123359167369e-10 ] [ -4.760367988821192e-09 3.610726145094492e-10 -1.451086570883898e-09 ] [ 1.686139405462489e-08 1.656985141993646e-08 -1.404424297942292e-08 ] [ -4.728449105483316e-09 -4.032896644017887e-09 -9.741576800519675e-10 ] [ -2.893162500378179e-10 2.477445088283546e-09 -2.359720994441148e-10 ] [ -1.627928755495375e-08 -1.284389833350133e-08 1.728708549691916e-08 ] [ 1.785519794499829e-09 -2.517954842732929e-09 -2.43096658500186e-10 ] [ 2.459177711173332e-09 -3.746249299816986e-09 -2.224063096663734e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.761185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.409138174315128e-18 } }