{ "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" [ [ -2.638341 -1.0138554 -0.0374837 ] [ 1.5692006 0.6626865 2.675726 ] [ 0.3559628 0.5746793 -0.8293878 ] [ 0.9771345 -0.2342196 -2.0721532 ] [ -1.2593984 -0.6801272 -1.2882936 ] [ -0.2010186 0.6641325 1.8630484 ] [ 0.4002984 -0.954709 -1.1331737 ] [ 0.7961617 0.9814129 0.8217176 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.227088267898093e-09 -1.624375418751832e-09 -6.005550780108097e-11 ] [ 2.514136514665333e-09 1.061740817219779e-09 4.286985640866701e-09 ] [ 5.703152760345063e-10 9.207377389177095e-10 -1.328825742736746e-09 ] [ 1.565542051277098e-09 -3.752611672531277e-10 -3.319955411755906e-09 ] [ -2.017778672752927e-09 -1.089683899010166e-09 -2.064073886646267e-09 ] [ -3.220673012659469e-10 1.064057564613456e-09 2.984932589898847e-09 ] [ 6.413487378236468e-10 -1.529612439467347e-09 -1.815544409445433e-09 ] [ 1.275591662116383e-09 1.572396803731528e-09 1.316536727619886e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.870096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.747022919705159e-18 } }