{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.27794849999999993 -0.06360709999999999 0.2551051999999999 ] [ -0.20954849999999997 -0.27536469999999996 -0.8894488999999999 ] [ -0.9525232999999999 -0.7048075999999999 -0.31899449999999996 ] [ 0.060675299999999995 2.0191828999999997 0.14645499999999997 ] [ 0.36894059999999995 0.26162949999999996 1.8319305999999997 ] [ -0.9901257999999998 -0.25921949999999994 -0.33966269999999993 ] [ 2.3879074999999994 -0.8881972999999999 0.6436455999999999 ] [ -0.3873770999999999 -0.08961619999999998 -1.3290301999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.453225921553488e-10 -1.019098093765014e-10 4.087235906518966e-10 ] [ -3.357337103897489e-10 -4.411828881684197e-10 -1.425054244717002e-09 ] [ -1.526110574600572e-09 -1.129226268185618e-09 -5.110855342745129e-10 ] [ 9.721254792094019e-11 3.235087662152358e-09 2.3464677893247e-10 ] [ 5.911080086539402e-10 4.191766716651029e-10 2.9350764024296e-09 ] [ -1.586356421480557e-09 -4.153154259771628e-10 -5.441996413813516e-10 ] [ 3.825849600653353e-09 -1.423048960441888e-09 1.03123394089691e-09 ] [ -6.206465381666813e-10 -1.435809816678707e-10 -2.129341132320347e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.71478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.241485610245051e-18 } }