{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4116907 -0.5387716 -7.9615436 ] [ -3.5295631 1.0583917 23.4805057 ] [ -11.2408896 2.0966353 -2.8431189 ] [ -1.5292503 -8.1305403 -3.8818899 ] [ 8.7656614 -0.9448965 -13.3833242 ] [ -3.4487206 5.0948969 1.0068053 ] [ 15.3944529 1.3642844 3.5825657 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.068307755975104e-09 -8.632072685827944e-10 -1.275579912649224e-08 ] [ -5.654983527048605e-09 1.695730451359538e-09 3.761991758704381e-08 ] [ -1.80098906624936e-08 3.35918008767958e-09 -4.555178669263782e-09 ] [ -2.45012909819749e-09 -1.302656169045535e-08 -6.219473293540596e-09 ] [ 1.404413787663573e-08 -1.513891093848381e-09 -2.144244931848674e-08 ] [ -5.52545956251446e-09 8.162924765819034e-09 1.61307992664736e-09 ] [ 2.466463272959353e-08 2.18582458781071e-09 5.739903054309854e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.056198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.412268863247753e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9830238 3.0754692 1.3599941 ] [ 2.7883404 3.2744416 5.1368512 ] [ 1.0117548 3.1905429 3.5405566 ] [ 2.999967 1.4256602 3.2095927 ] [ 4.3598835 3.0884349 1.6086194 ] [ 3.0002653 4.9104629 3.0259572 ] [ 4.8575972 3.2113943 3.9428457 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9830238e-10 3.0754692e-10 1.3599941e-10 ] [ 2.7883404e-10 3.2744416e-10 5.1368512e-10 ] [ 1.0117548e-10 3.1905429e-10 3.5405566e-10 ] [ 2.999967e-10 1.4256602e-10 3.2095927e-10 ] [ 4.3598835e-10 3.0884349e-10 1.6086194e-10 ] [ 3.0002653e-10 4.9104629e-10 3.0259572e-10 ] [ 4.8575972e-10 3.2113943e-10 3.9428457e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.81e-05 6.62e-05 1.43e-05 ] [ -9e-06 3.82e-05 2.4e-06 ] [ 3.2e-06 -1.47e-05 -1e-05 ] [ 4.28e-05 0.0001256 -3.2e-06 ] [ 1.4e-06 -1.14e-05 1.22e-05 ] [ -1.14e-05 -0.0001866 -9.8e-06 ] [ -8.9e-06 -1.74e-05 -6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.899939707539999e-14 1.060640931708e-13 2.29111258662e-14 ] [ -1.4419589706e-14 6.12031474188e-14 3.845223921599999e-15 ] [ 5.1269652288e-15 -2.35519965198e-14 -1.602176634e-14 ] [ 6.857315993519999e-14 2.012333852303999e-13 -5.1269652288e-15 ] [ 2.2430472876e-15 -1.82648136276e-14 1.95465549348e-14 ] [ -1.82648136276e-14 -2.989661599044e-13 -1.57013310132e-14 ] [ -1.42593720426e-14 -2.78778734316e-14 -9.613059803999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.729818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.481500666067262e-18 } }