{ "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" [ [ -1.0722885999999998 -0.17777969999999998 0.5013540999999999 ] [ 1.4652774999999998 1.1556927999999997 -2.7409237999999996 ] [ -3.3094457999999998 0.43423219999999996 -1.4904064999999997 ] [ 0.7562413999999998 2.2310525999999995 0.15342849999999997 ] [ 0.0018808000000000004 0.26341879999999995 2.1644039999999998 ] [ -0.5288851999999999 -0.33823449999999994 -0.35785419999999996 ] [ 1.2591440999999999 -2.3334805999999997 2.3698206999999996 ] [ 1.4280757999999998 -1.2349015999999997 -0.5998227999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.717995739824572e-09 -2.848344813395297e-10 8.032578243800992e-10 ] [ 2.347633372825935e-09 1.851624000242035e-09 -4.391444067934488e-09 ] [ -5.302316732249436e-09 6.957166845704147e-10 -2.38789446946172e-09 ] [ 1.211632300743447e-09 3.574540344944948e-09 2.458195576896689e-10 ] [ 3.0133738132272e-12 4.220434463163191e-10 3.467757515336135e-09 ] [ -8.473675095084166e-10 -5.419114127126729e-10 -5.733456376187627e-10 ] [ 2.017371255858959e-09 -3.7386480932123e-09 3.796871352309523e-09 ] [ 2.288029678340857e-09 -1.978530488809214e-09 -9.610220747004548e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.744215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72685460736723e-18 } }