{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] "source-value" [ 5.41852 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] "source-value" [ 0.038783 5.47951 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] "source-value" [ 0.00323821 0.0198894 5.39896 ] } "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" [ [ 4.184322328665051e-09 1.221951109287324e-09 -5.568381508227256e-09 ] [ 5.023507515189757e-09 -3.140929477889011e-10 1.988445702743996e-09 ] [ -5.00586146232359e-10 2.210710057729407e-09 -2.991449763739275e-09 ] [ -4.760830497991936e-09 -3.608848684782217e-09 1.182497654196019e-08 ] [ -7.039185734392816e-09 -2.517910281477965e-10 -1.495935343790546e-08 ] [ 1.007695025858021e-08 1.89769809850656e-11 4.477732778456045e-09 ] [ -2.448537155320959e-09 7.083334672484932e-09 3.863200471823038e-09 ] [ -4.535640408279281e-09 -6.360240319985476e-09 1.364829054671054e-09 ] ] "source-value" [ [ 2.6116486 0.7626819 -3.4755104 ] [ 3.1354268 -0.1960414 1.2410902 ] [ -0.3124413 1.3798167 -1.8671161 ] [ -2.9714767 -2.2524662 7.3805699 ] [ -4.3935142 -0.1571556 -9.3368941 ] [ 6.2895377 0.0118445 2.794781 ] [ -1.5282567 4.4210698 2.4112201 ] [ -2.8309241 -3.9697498 0.8518593 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.677896749471584e-18 "source-value" -16.714117 } }