{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.868035 -1.996409 -2.1840557 ] [ 3.3044263 3.7275447 4.7106494 ] [ 0.7751127 0.8260045 -1.101487 ] [ 1.5073895 -1.5225169 -2.6543488 ] [ -1.5595448 -1.6128214 -1.5642793 ] [ 0.8186214 0.7017109 2.7798096 ] [ -0.1983934 -1.2257653 -1.1839479 ] [ 1.2204234 1.1022525 1.1976597 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.401628487036127e-09 -3.198599825354707e-09 -3.499242981064979e-09 ] [ 5.294274563016647e-09 5.97218497132695e-09 7.547292337465548e-09 ] [ 1.241867446425164e-09 1.323405098575594e-09 -1.76477671951513e-09 ] [ 2.415104215339402e-09 -2.439340981952892e-09 -4.252735590808535e-09 ] [ -2.498666217650212e-09 -2.584024740605925e-09 -2.506251722861389e-09 ] [ 1.311576068366565e-09 1.124264798540527e-09 4.453745951395401e-09 ] [ -3.178612672010227e-10 -1.963892506247898e-09 -1.896893645625256e-09 ] [ 1.955333838957247e-09 1.766003185718352e-09 1.918862371014342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -60.613521 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.711356625056985e-18 } }