{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -45.8940221 -89.4723402 4.4434775 ] [ -209.410502 44.6099262 -34.6682553 ] [ -32.0262591 22.7663714 -2.6740282 ] [ -99.2934805 -126.6217486 4.0718511 ] [ 4.286279 -13.855435 8.3690243 ] [ 13.3544272 41.6808136 -49.5270342 ] [ 368.9835574 120.8924126 69.9849647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.353032924309853e-08 -1.43350491676704e-07 7.119235765550832e-09 ] [ -3.355126104543916e-07 7.147298081325338e-08 -5.554466812558569e-08 ] [ -5.131172358170324e-08 3.647574799752977e-08 -4.284265465399907e-09 ] [ -1.590856930549607e-07 -2.028704052917351e-07 6.523824635798763e-09 ] [ 6.867376004026004e-09 -2.219885402801405e-08 1.340865507236709e-08 ] [ 2.13961510440156e-08 6.678002508584268e-08 -7.935105629280204e-08 ] [ 5.911768291258949e-07 1.936909970998274e-07 1.121282742498533e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 67.011338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.073639990721266e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.1137957 1.2993209 2.9657339 ] [ 2.5894618 1.5535104 5.7479055 ] [ 2.8167249 4.4589384 2.9498349 ] [ 0.6821499 3.527117 4.699212 ] [ 4.3549758 1.0039529 1.3012512 ] [ 4.6101982 3.7981364 0.8868721 ] [ 4.3778498 3.661481 5.15811 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1137957e-10 1.2993209e-10 2.9657339e-10 ] [ 2.5894618e-10 1.5535104e-10 5.7479055e-10 ] [ 2.8167249e-10 4.4589384e-10 2.9498349e-10 ] [ 6.821499e-11 3.527117e-10 4.699212e-10 ] [ 4.3549758e-10 1.0039529e-10 1.3012512e-10 ] [ 4.610198200000001e-10 3.7981364e-10 8.868721000000001e-11 ] [ 4.3778498e-10 3.661481e-10 5.15811e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.7e-06 4.33e-05 4.07e-05 ] [ 1.87e-05 -2.23e-05 -9.8e-06 ] [ -4e-07 -4.45e-05 -8.4e-06 ] [ 2.31e-05 1.52e-05 1.27e-05 ] [ 7.3e-06 1.79e-05 1.31e-05 ] [ 2.23e-05 7.4e-06 7.3e-06 ] [ -6.43e-05 -1.7e-05 -5.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.073458335936e-14 6.937424768064e-14 6.520858846656e-14 ] [ 2.996070280896e-14 -3.572853864384e-14 -1.570133088384e-14 ] [ -6.408706483200001e-16 -7.129685962560001e-14 -1.345828361472e-14 ] [ 3.701027994048e-14 2.435308463616e-14 2.034764308416e-14 ] [ 1.169588933184e-14 2.867896151232001e-14 2.098851373248e-14 ] [ 3.572853864384e-14 1.185610699392e-14 1.169588933184e-14 ] [ -1.0301995671744e-13 -2.72370025536e-14 -8.908102011648e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.839978 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.858279566718634e-18 } }