{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7326806 0.743748 -0.3831615 ] [ -0.338392 -1.335744 2.3570757 ] [ 0.1216286 0.91154 -1.5538312 ] [ 1.5906999 -0.4260074 -1.1764405 ] [ -0.0891106 0.4962066 0.5909875 ] [ -1.9164722 -1.3569714 1.5021381 ] [ 0.2240848 -0.19423 -3.6455445 ] [ 2.140242 1.1614582 2.3087763 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.776060348633717e-09 1.191615657366758e-09 -6.138923972906592e-10 ] [ -5.421637510657536e-10 -2.140097808173876e-09 3.776451579995795e-09 ] [ 1.948704993406349e-10 1.460448076924032e-09 -2.489512021309609e-09 ] [ 2.548582190488898e-09 -6.825390965677939e-10 -1.884865464862263e-09 ] [ -1.427709199854605e-10 7.950106136066572e-10 9.4686635568504e-10 ] [ -3.070526953253142e-09 -2.174107852174245e-09 2.406690545032932e-09 ] [ 3.590234276366439e-10 -3.11190765057984e-10 -5.840806167986026e-09 ] [ 3.429045695254234e-09 1.860861174076451e-09 3.699067410517127e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.97023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.763066155079879e-18 } }