{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7780434 -5.7555741 2.2815801 ] [ 0.9264922 0.8235669 3.1451634 ] [ 1.7302054 1.9029572 -0.5598151 ] [ -2.0127496 -0.1150999 -1.731019 ] [ 4.7528374 4.9361787 4.0232521 ] [ -11.1616051 0.4018172 -11.0199399 ] [ 8.4783447 4.5455822 5.0355742 ] [ -6.4915685 -6.7394282 -1.1747958 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.053092857717916e-09 -9.221446338275578e-09 3.655494324819383e-09 ] [ 1.484404154423255e-09 1.319499643715814e-09 5.039107309591995e-09 ] [ 2.772094663900623e-09 3.048873561342064e-09 -8.969226725803733e-10 ] [ -3.224780379212846e-09 -1.844103703557366e-10 -2.773398194810046e-09 ] [ 7.614885027481311e-09 7.908630174388494e-09 6.445960507311431e-09 ] [ -1.788286288915523e-08 6.437821289793046e-10 -1.76558902158643e-08 ] [ 1.358380577333774e-08 7.282825588766314e-09 8.067879322013243e-09 ] [ -1.040063936871043e-08 -1.079775438856068e-08 -1.882230380481337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.381454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.707427907174583e-18 } }