{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.055444 0.8161858 1.3132173 ] [ 1.0412933 0.124217 -0.4439451 ] [ -2.0446151 0.3041684 -0.2687718 ] [ 0.9899968 -0.0080415 -0.0883341 ] [ -0.0060253 -0.1330235 -1.9246176 ] [ 2.0161796 -2.4154273 1.7201999 ] [ -0.9413853 1.3119212 -0.3077486 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.691007701363635e-09 1.307673806988945e-09 2.1040060560901e-09 ] [ 1.668335780655681e-09 1.990175733059136e-10 -7.112784601387181e-10 ] [ -3.275834511754654e-09 4.873314992661427e-10 -4.306198942903335e-10 ] [ 1.586149727626813e-09 -1.28839032961632e-11 -1.415268298394093e-10 ] [ -9.653594793306239e-12 -2.131271417169888e-10 -3.083577322700206e-09 ] [ 3.230275818453896e-09 -3.869941149302068e-09 2.756064062882498e-09 ] [ -1.508265518824794e-09 2.101929474971881e-09 -4.930676120039309e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.468707085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.19661878801075e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4978456 1.2085235 2.7383932 ] [ 1.60184 1.7326705 4.781741 ] [ 2.2612029 3.8608207 5.3193679 ] [ 1.5526725 3.4216418 3.0415839 ] [ 3.7109792 3.0127368 2.0131583 ] [ 3.9019686 2.3650379 4.3427874 ] [ 3.5647242 4.651946 3.6082894 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4978456e-10 1.2085235e-10 2.7383932e-10 ] [ 1.60184e-10 1.7326705e-10 4.781741000000001e-10 ] [ 2.2612029e-10 3.8608207e-10 5.3193679e-10 ] [ 1.5526725e-10 3.4216418e-10 3.0415839e-10 ] [ 3.7109792e-10 3.0127368e-10 2.0131583e-10 ] [ 3.9019686e-10 2.3650379e-10 4.3427874e-10 ] [ 3.5647242e-10 4.651946e-10 3.6082894e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.11e-05 3.5e-06 -2.5e-05 ] [ -2.32e-05 -2.2e-06 2e-06 ] [ 9.1e-06 4.3e-06 -2.43e-05 ] [ -9.3e-06 -1.84e-05 4.7e-05 ] [ 1.04e-05 -9.5e-06 -7.6e-06 ] [ -8.9e-06 1.96e-05 5.5e-06 ] [ 1.09e-05 2.7e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.778416049088e-14 5.6076181728e-15 -4.005441552e-14 ] [ -3.717049760256e-14 -3.52478856576e-15 3.2043532416e-15 ] [ 1.457980724928e-14 6.889359469440001e-15 -3.893289188544e-14 ] [ -1.490024257344e-14 -2.948004982272e-14 7.530230117759999e-14 ] [ 1.666263685632e-14 -1.52206778976e-14 -1.217654231808e-14 ] [ -1.425937192512e-14 3.140266176767999e-14 8.8119714144e-15 ] [ 1.746372516672e-14 4.32587687616e-15 4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }