{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0609320000000002 1.2107325000000002 -0.11937050000000003 ] [ -0.6086582000000001 -0.6097250000000001 0.23199740000000005 ] [ 0.16003690000000004 0.5143063000000001 -0.6316003000000001 ] [ 0.20661780000000005 -0.27343280000000003 -0.31000720000000004 ] [ 0.33612060000000005 0.5813910000000001 -0.15634710000000002 ] [ 0.3481463000000001 -0.13599460000000002 -0.4123869000000001 ] [ -0.2821254000000001 0.4898941000000001 0.04832830000000001 ] [ -1.2210699000000003 -1.7771715000000003 1.3493862000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.699800446658586e-09 1.939807305542736e-09 -1.912526243132064e-10 ] [ -9.751779380982107e-10 -9.768871401172802e-10 3.71700810366386e-10 ] [ 2.564073796453076e-10 8.240095297901513e-10 -1.011935234350266e-09 ] [ 3.310382086011303e-10 -4.380876395198823e-10 -4.966862881196698e-10 ] [ 5.385245670892686e-10 9.31491067743533e-10 -2.504956683498797e-10 ] [ 5.577918624780232e-10 -2.178873686750477e-10 -6.607166499041877e-10 ] [ -4.520147200138485e-10 7.848968736878574e-10 7.743047238300866e-11 ] [ -1.956369646142594e-09 -2.847342628452068e-09 2.161955022070153e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.21748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.962897634109159e-18 } }