{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3619172000000002 2.2031940000000003 -0.7613571000000002 ] [ 0.4825320000000001 1.0997434000000001 0.12942510000000002 ] [ 1.7038745000000004 1.8527343000000005 -1.7803270000000004 ] [ -0.5622325000000001 1.3322650000000003 -1.6844127000000004 ] [ -1.0677569000000002 0.18982490000000005 1.7846833000000004 ] [ -1.0313121000000003 -2.4845860000000006 0.27568700000000007 ] [ -0.9247226000000002 -1.3915254000000001 1.0465073000000003 ] [ 0.037700500000000005 -2.8016503000000004 0.9897941000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.182031897305398e-09 3.529905917886836e-09 -1.219828545700088e-09 ] [ 7.731014891878659e-10 1.761983164359103e-09 2.073618693647021e-10 ] [ 2.729907888677291e-09 2.968407580014254e-09 -2.852398296779002e-09 ] [ -9.007957669539361e-10 2.134523835710112e-09 -2.698726647718605e-09 ] [ -1.710735141877884e-09 3.04133016825698e-10 2.859377858792193e-09 ] [ -1.652344135368152e-09 -3.98074560156699e-09 4.416992660584897e-10 ] [ -1.48156893044539e-09 -2.229469463129369e-09 1.676689529556532e-09 ] [ 6.040285969247041e-11 -4.488738610317307e-09 1.585824966425778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 164.74754 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.639546569223128e-17 } }