{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.12845320000000002 -0.07693160000000002 0.8704658000000002 ] [ 0.7342369000000001 -1.0672635000000001 -1.4690781000000002 ] [ -0.6004465000000001 0.26075740000000003 1.1880134000000002 ] [ -1.5754688000000003 -2.1623036000000004 1.7092561000000004 ] [ 2.0645404000000003 0.9657384000000002 -1.5993764000000004 ] [ 0.4231968000000001 1.5801742000000005 0.32702470000000006 ] [ -1.7882560000000005 -0.9914193000000002 -1.8602204000000004 ] [ 0.8706504000000003 1.4912479000000003 0.8339150000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.058047139069466e-10 -1.232580109207373e-10 1.394639953965969e-09 ] [ 1.176377195308668e-09 -1.709944627933181e-09 -2.353722585949285e-09 ] [ -9.620213443411875e-10 4.17779409980594e-10 1.903407294677119e-09 ] [ -2.524179278159832e-09 -3.464392274991675e-09 2.738530162379787e-09 ] [ 3.307758361577081e-09 1.547283486288799e-09 -2.56248347593927e-09 ] [ 6.780360189573736e-10 2.531718160031344e-09 5.239513287641338e-10 ] [ -2.865101955205326e-09 -1.588428823869902e-09 -2.980401634415225e-09 ] [ 1.394935715770169e-09 2.389242521197097e-09 1.336079116734432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 145.26388 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.327383923826967e-17 } }