{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4070364 -4.5534882 4.6319236 ] [ -0.1544773 5.9136434 -2.5821438 ] [ -8.461144 0.8901382 -5.3335421 ] [ -0.8542926 6.8995831 4.8229072 ] [ 4.8223981 -7.2925036 -4.422419 ] [ 2.4784064 -0.8817633 1.0378755 ] [ 3.5761457 -0.9756096 1.8453985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.254320824694597e-09 -7.295492337128675e-09 7.421159701251772e-09 ] [ -2.474999185043079e-10 9.474701199228223e-09 -4.137050427903671e-09 ] [ -1.35562471020222e-08 1.426158613320994e-09 -8.545276458672535e-09 ] [ -1.368727631042446e-09 1.105435073608679e-08 7.72714916012799e-09 ] [ 7.726333492010341e-09 -1.168387877501984e-08 -7.085496329181714e-09 ] [ 3.970844790921093e-09 -1.412740544339457e-09 1.662859861401111e-09 ] [ 5.729617033114451e-09 -1.56309889214804e-09 2.956654332759389e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.488059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.122331251457103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7357016 2.7604421 3.3554847 ] [ 3.0638868 5.5641325 1.3301978 ] [ 0.9012452 4.1524845 1.3927345 ] [ 1.7118741 5.3021316 3.5158618 ] [ 3.0897909 2.80052 1.1558184 ] [ 5.1607001 4.2002712 1.2681323 ] [ 3.9712003 4.050551 3.4643235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7357016e-10 2.7604421e-10 3.3554847e-10 ] [ 3.0638868e-10 5.5641325e-10 1.3301978e-10 ] [ 9.012452e-11 4.1524845e-10 1.3927345e-10 ] [ 1.7118741e-10 5.3021316e-10 3.5158618e-10 ] [ 3.0897909e-10 2.80052e-10 1.1558184e-10 ] [ 5.1607001e-10 4.2002712e-10 1.2681323e-10 ] [ 3.9712003e-10 4.050551e-10 3.4643235e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 -5.02e-05 7.2e-06 ] [ 3.06e-05 -2.87e-05 2.05e-05 ] [ -3.91e-05 3.9e-06 -4.16e-05 ] [ -7e-07 6.28e-05 1.14e-05 ] [ 3.14e-05 9.6e-06 1.18e-05 ] [ -5.97e-05 9.4e-06 1.44e-05 ] [ 3.3e-05 -6.8e-06 -2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 -8.042926636416e-14 1.153567166976e-14 ] [ 4.902660459647999e-14 -4.598246901696e-14 3.28446207264e-14 ] [ -6.264510587328001e-14 6.24848882112e-15 -6.665054742528e-14 ] [ -1.12152363456e-15 1.0061669178624e-13 1.826481347712e-14 ] [ 5.030834589312e-14 1.538089555968e-14 1.890568412544e-14 ] [ -9.564994426176e-14 1.506046023552e-14 2.307134333952e-14 ] [ 5.28718284864e-14 -1.089480102144e-14 -3.797158591296e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }