{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6247488 -3.736669 -1.0168641 ] [ -4.172198 4.6501335 -1.180735 ] [ -1.0393837 -2.4218115 -4.2688543 ] [ 3.5729302 -3.0472922 -2.7284584 ] [ 2.4422855 -4.5784176 3.126568 ] [ 3.0067865 3.0350717 -1.5746528 ] [ 1.8143283 6.0989851 7.6429967 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.011841025232856e-09 -5.986803711468116e-09 -1.629195887550833e-09 ] [ -6.684598092948519e-09 7.450335177298877e-09 -1.891746012360288e-09 ] [ -1.665276264180601e-09 -3.88016976528458e-09 -6.83945855706155e-09 ] [ 5.724465234190269e-09 -4.882300319586198e-09 -4.371472259305375e-09 ] [ 3.912972729418839e-09 -7.335433638979246e-09 5.009314152941414e-09 ] [ 4.817403034037059e-09 4.862720920191711e-09 -2.522871902037258e-09 ] [ 2.906874384715808e-09 9.771651337827551e-09 1.224543062559155e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.904077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.5481140344803e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7347624 2.1119418 3.4765286 ] [ 2.0388028 4.5820701 3.2369022 ] [ 2.9188774 2.8471636 1.4007938 ] [ 4.999237 2.1104935 2.5758602 ] [ 3.8267444 1.8858106 4.6928839 ] [ 4.6174494 4.5809282 2.5254275 ] [ 3.8851037 4.3066831 4.9002679 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7347624e-10 2.1119418e-10 3.4765286e-10 ] [ 2.0388028e-10 4.5820701e-10 3.2369022e-10 ] [ 2.9188774e-10 2.8471636e-10 1.4007938e-10 ] [ 4.999237e-10 2.1104935e-10 2.5758602e-10 ] [ 3.8267444e-10 1.8858106e-10 4.6928839e-10 ] [ 4.6174494e-10 4.5809282e-10 2.5254275e-10 ] [ 3.8851037e-10 4.3066831e-10 4.900267900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.26e-05 4.43e-05 2.6e-06 ] [ 1.11e-05 -1.34e-05 5.79e-05 ] [ 3.68e-05 -1.4e-06 2.02e-05 ] [ 5.7e-06 -1.11e-05 -6.38e-05 ] [ -4.05e-05 4.8e-05 -3.5e-06 ] [ -3.43e-05 -6.76e-05 3.97e-05 ] [ -5.13e-05 1.1e-06 -5.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1631802267008e-13 7.097642430144e-14 4.16565921408e-15 ] [ 1.778416049088e-14 -2.146916671872e-14 9.276602634432e-14 ] [ 5.896009964544001e-14 -2.24304726912e-15 3.236396774016e-14 ] [ 9.13240673856e-15 -1.778416049088e-14 -1.0221886840704e-13 ] [ -6.488815314240001e-14 7.69044777984e-14 -5.6076181728e-15 ] [ -5.495465809344e-14 -1.0830713956608e-13 6.360641184576e-14 ] [ -8.219166064704e-14 1.76239428288e-15 -8.49153609024e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }