{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -183.7997959 -55.9213146 -26.2638794 ] [ -0.9610323 -4.065613 0.2379834 ] [ -0.1711557 36.5286321 -44.151599 ] [ -49.2359003 -28.3550599 96.3209152 ] [ 184.7226512 46.3354489 24.8913742 ] [ 49.445233 5.4779066 -51.0347944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.944797358987917e-07 -8.959582285652171e-08 -4.207937354619073e-08 ] [ -1.539743482893652e-09 -6.51383009782055e-09 3.812914396184947e-10 ] [ -2.742216610566586e-10 5.852532034042442e-08 -7.073865968873665e-08 ] [ -7.88846083646997e-08 -4.542981405316359e-08 1.543231184274994e-07 ] [ 2.959583130848331e-07 7.423757294185309e-08 3.988037780282431e-08 ] [ 7.921999632260865e-08 8.776573885446016e-09 -8.176675443501478e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 70.840355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.134987605901724e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7610019 0.3173159 0.3698912 ] [ 0.2873337 -0.1280307 2.7831793 ] [ 0.8103831 2.7827459 0.8327505 ] [ 0.3369053 2.3407094 3.2466829 ] [ 3.2445144 0.3185341 0.0891459 ] [ 3.2939485 2.7873111 0.5524724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.610019000000001e-11 3.173159e-11 3.698912e-11 ] [ 2.873337e-11 -1.280307e-11 2.7831793e-10 ] [ 8.103831e-11 2.7827459e-10 8.327505e-11 ] [ 3.369053e-11 2.3407094e-10 3.2466829e-10 ] [ 3.2445144e-10 3.185341e-11 8.91459e-12 ] [ 3.2939485e-10 2.7873111e-10 5.524724e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.66e-05 -1.59e-05 -1.73e-05 ] [ 8e-06 1.42e-05 1.05e-05 ] [ 5.07e-05 -2.64e-05 -4.76e-05 ] [ -2.2e-05 8.3e-06 5.3e-05 ] [ 6e-06 3e-05 -1.9e-05 ] [ -1.61e-05 -1.02e-05 2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.261789811328e-14 -2.547460827072e-14 -2.771765553984e-14 ] [ 1.28174129664e-14 2.275090801536e-14 1.68228545184e-14 ] [ 8.123035467456e-14 -4.229746278912e-14 -7.626360715008e-14 ] [ -3.52478856576e-14 1.329806595264e-14 8.49153609024e-14 ] [ 9.6130597248e-15 4.8065298624e-14 -3.04413557952e-14 ] [ -2.579504359488e-14 -1.634220153216e-14 3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.296961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.091713976668939e-18 } }