{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7438831 0.7594599 -0.3668165 ] [ -0.3544199 -1.3368392 2.3596309 ] [ 0.1472112 0.9393583 -1.5840251 ] [ 1.5886691 -0.4606242 -1.1622509 ] [ -0.1113824 0.5221208 0.5893281 ] [ -1.9123131 -1.36719 1.5085272 ] [ 0.2089008 -0.1980436 -3.6255736 ] [ 2.1772175 1.141758 2.2811799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.794008732228228e-09 1.216788896215106e-09 -5.877048204236833e-10 ] [ -5.67843277726274e-10 -2.141852512008975e-09 3.780545461697263e-09 ] [ 2.358583429599129e-10 1.505017906814433e-09 -2.537887981980382e-09 ] [ 2.545328490207377e-09 -7.380013242147033e-10 -1.862131219483759e-09 ] [ -1.784542772485939e-10 8.365297389933927e-10 9.442077038004845e-10 ] [ -3.063863340469572e-09 -2.190479854191552e-09 2.416927011680886e-09 ] [ 3.346959778264166e-10 -3.173008258190669e-10 -5.808809258909691e-09 ] [ 3.488286976896623e-09 1.829297974211366e-09 3.654853103618882e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.980197 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.764663044517829e-18 } }