{ "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" [ [ 1.0912509000000001 1.2765967000000003 -0.11981210000000003 ] [ -0.3884147000000001 -0.15589850000000002 0.18768180000000007 ] [ -0.21044400000000005 0.09215120000000002 -0.5569673000000002 ] [ 0.24795160000000005 -0.5717419000000001 -0.31035890000000005 ] [ -0.2613210000000001 -0.045923700000000005 -0.29281090000000004 ] [ -0.19900600000000004 -0.10452860000000003 -0.6809409000000001 ] [ 0.022577800000000002 0.5888028000000001 0.4814041000000001 ] [ -0.30259460000000005 -1.0794580000000003 1.2918042000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.748376679406959e-09 2.045333386930432e-09 -1.919601455089517e-10 ] [ -6.22308951515046e-10 -2.497769319177888e-10 3.006993921096616e-10 ] [ -3.371684567876353e-10 1.47642498218665e-10 -8.923599866101001e-10 ] [ 3.972622566099534e-10 -9.160315053117718e-10 -4.972497736372052e-10 ] [ -4.18682396724077e-10 -7.357787848063297e-11 -4.691347782954068e-10 ] [ -3.188427605989249e-10 -1.674732791249549e-10 -1.090987590126511e-09 ] [ 3.617362330909825e-11 9.433660804215783e-10 7.712943941772654e-10 ] [ -4.848099937003278e-10 -1.729482370735527e-09 2.069698487891248e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 671.28576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.07551835054796e-16 } }