{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9065487999999997 1.5028204999999997 7.655550599999999 ] [ -2.9147296999999996 0.7450745999999999 1.2226155999999997 ] [ 1.4664915999999997 -4.001200399999999 0.8315706999999999 ] [ 5.107351999999999 -0.7065265999999999 0.34539349999999996 ] [ -2.3965035999999995 2.6630199999999995 -0.37956699999999993 ] [ -4.374412799999999 1.5723006999999998 -2.4670115999999997 ] [ 0.028413999999999995 -0.8009892999999999 -2.1848437999999994 ] [ 1.1768397999999998 -0.9744993999999999 -5.023707999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.054627913774295e-09 2.407783870358966e-09 1.226554419067141e-08 ] [ -4.669911781291398e-09 1.193741104871912e-09 1.958846130545364e-09 ] [ 2.349578556119585e-09 -6.410629736015607e-09 1.33232313408229e-09 ] [ 8.18287996859612e-09 -1.131980400493313e-09 5.533813906762848e-10 ] [ -3.839622039583034e-09 4.266628384722815e-09 -6.081333734271935e-10 ] [ -7.008581917888265e-09 2.519103422407474e-09 -3.952588308762401e-09 ] [ 4.55242465034112e-11 -1.283326329970957e-09 -3.50050565645983e-09 ] [ 1.885505213986948e-09 -1.561320155663627e-09 -8.048867507325926e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -214.65535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.439157832996413e-17 } }