{ "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" [ [ -0.8977943999999999 -0.20496659999999997 0.33859359999999994 ] [ 1.6895724999999997 1.4139479999999998 -2.8899336999999994 ] [ -3.3679416999999994 0.8121012999999999 -1.7822464999999998 ] [ 0.6472100999999999 2.2177187999999997 0.11559769999999998 ] [ 0.13842059999999998 0.33698729999999993 2.2770349999999997 ] [ -0.8130836999999999 -0.40897859999999997 -0.35195909999999997 ] [ 0.9336305999999999 -2.6064718999999994 2.4887282999999996 ] [ 1.6699860999999998 -1.5603383999999998 -0.19581549999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.438425197965163e-09 -3.283926945648652e-10 5.424867498725067e-10 ] [ 2.706993558646608e-09 2.265394428626918e-09 -4.63018420980204e-09 ] [ -5.396037451957407e-09 1.301129716581287e-09 -2.855473674802627e-09 ] [ 1.03694489096563e-09 3.553177212868631e-09 1.852079323582521e-10 ] [ 2.217742491571084e-10 5.399131735665158e-10 3.648212241743328e-09 ] [ -1.302703694893561e-09 -6.552559513275149e-10 -5.639006414978093e-10 ] [ 1.495841119783476e-09 -4.176028340952155e-09 3.987382297783328e-09 ] [ 2.675612686480971e-09 -2.499937705016478e-09 -3.137310160902623e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.688492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.717926751400783e-18 } }