{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5566548000000004 2.8840651000000004 -0.22634130000000005 ] [ -0.9160098000000002 -0.31567130000000004 0.4068932000000001 ] [ -0.5184156000000001 0.16833740000000003 -1.3117774000000002 ] [ 0.5988703000000001 -1.2303439000000003 -0.7106381000000002 ] [ -0.5916352000000001 -0.13123250000000003 -0.6384615000000001 ] [ -0.4145509000000001 -0.12747230000000004 -1.5409694000000005 ] [ -0.011776800000000004 1.2591277000000003 1.0584006000000001 ] [ -0.7031369000000001 -2.5068102000000003 2.9628939000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.096212581763944e-09 4.620781714154873e-09 -3.626387421691842e-10 ] [ -1.467609498075013e-09 -5.057611808844042e-10 6.519147775734889e-10 ] [ -8.305933610210905e-10 2.697062489083116e-10 -2.101699099289272e-09 ] [ 9.594960014565702e-10 -1.971228248364433e-09 -1.138567759050156e-09 ] [ -9.479040932919169e-10 -2.10257645121405e-10 -1.022928097008591e-09 ] [ -6.641837655836706e-10 -2.042331405422382e-10 -2.468905166389e-09 ] [ -1.88685137832912e-11 2.017344980162162e-09 1.69574471073158e-09 ] [ -1.126549511683195e-09 -4.016352728312866e-09 4.747079375601133e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -331.22541 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.306816124890699e-17 } }