{ "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" [ [ 1.7572840999999997 -0.32563879999999995 6.065812799999999 ] [ -3.8846332999999995 0.08636069999999998 1.9626392999999998 ] [ 2.4614781999999997 -4.996177299999999 -4.353786599999999 ] [ 4.086434499999999 -2.0532693999999996 2.7395508999999993 ] [ -1.5318780999999997 2.4648761999999995 0.38447059999999994 ] [ -3.1738784999999994 2.9036985999999994 -0.09374059999999998 ] [ -1.0700042999999997 -0.20876229999999998 -2.8904110999999997 ] [ 1.3551972999999997 2.1289122999999996 -3.8145353999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.815479524319719e-09 -5.21730876483799e-10 9.718503534378112e-09 ] [ -6.22386870491831e-09 1.383650956358838e-10 3.144494827430116e-09 ] [ 3.943722857140378e-09 -8.004758529381206e-09 -6.975535159942302e-09 ] [ 6.547189872271472e-09 -3.289700255987199e-09 4.389244439633669e-09 ] [ -2.454339297956315e-09 3.949167053342709e-09 6.159898117799603e-10 ] [ -5.085113971854968e-09 4.652238049098511e-09 -1.501889989771403e-10 ] [ -1.714335887739525e-09 -3.344740791200981e-10 -4.630949127074237e-09 ] [ 2.171265448519887e-09 3.410893542895198e-09 -6.111559487445842e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.349667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.182988058508087e-18 } }