{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44714e-10 0.0 0.0 ] "source-value" [ 5.44714 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] "source-value" [ 0.103058 5.37075 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] "source-value" [ 0.0454409 0.00880856 5.43207 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -6.555033273977664e-11 4.86460796381569e-09 6.228206867277293e-10 ] [ 6.485091535337938e-09 -7.926226174186536e-09 -9.37198293236848e-09 ] [ -5.856514868882321e-09 7.241325949932668e-09 1.064994437392469e-08 ] [ 8.315706819166924e-10 -5.32620434089257e-09 2.262532941182169e-10 ] [ -1.349154960789767e-09 2.190045343891991e-09 5.025618222669999e-09 ] [ -3.024997579784544e-10 -1.768411096961752e-09 2.211828857663712e-09 ] [ 1.378338127284653e-10 2.685726586617433e-09 -3.433264546732125e-09 ] [ 1.192240506248871e-10 -1.960864392434586e-09 -5.931217956003742e-09 ] ] "source-value" [ [ -0.04091330000000001 3.0362495000000007 0.38873410000000014 ] [ 4.047675800000001 -4.947161300000001 -5.849531700000001 ] [ -3.655349100000001 4.519680200000001 6.647172500000002 ] [ 0.5190256000000001 -3.324355300000001 0.14121620000000001 ] [ -0.8420763000000002 1.3669188000000003 3.1367442000000008 ] [ -0.18880550000000004 -1.1037554000000003 1.3805150000000002 ] [ 0.08602910000000001 1.6762987000000005 -2.1428752000000006 ] [ 0.07441380000000002 -1.2238753000000002 -3.7019751000000007 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.883247246306533e-18 "source-value" -17.995814 } }