{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -519.9484485 667.7007004 -553.373705 ] [ 634.3560618 16.8085653 770.117501 ] [ 550.8058712 -299.8106259 -261.2342994 ] [ -1101.7430339 791.7802707 -1084.5616442 ] [ 436.5295494 -1176.4789105 1129.0521475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.330492482079329e-07 1.069774451872665e-06 -8.86602412716476e-07 ] [ 1.01635045147872e-06 2.693029035285014e-08 1.233864255371121e-06 ] [ 8.82488289436016e-07 -4.803495754843949e-07 -4.185434870497475e-07 ] [ -1.765186931043842e-06 1.268571838526235e-06 -1.737659310153648e-06 ] [ 6.993974383370386e-07 -1.884927005267356e-06 1.808940954388533e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 867.63534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.390105057127859e-16 } "relaxed-configuration-positions" { "source-value" [ [ -0.4737249 0.9801412 0.6638989 ] [ 0.3011319 0.3621476 3.3990109 ] [ 2.0481767 -0.4178827 0.2782629 ] [ 1.4701211 3.0692201 1.2299102 ] [ 3.0200052 1.0288582 2.6075686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.737249e-11 9.801412e-11 6.638989e-11 ] [ 3.011319e-11 3.621476e-11 3.3990109e-10 ] [ 2.0481767e-10 -4.178827e-11 2.782629e-11 ] [ 1.4701211e-10 3.0692201e-10 1.2299102e-10 ] [ 3.0200052e-10 1.0288582e-10 2.6075686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.37e-05 -6.7e-06 -1.39e-05 ] [ -7.1e-06 -2e-07 1.02e-05 ] [ 1.1e-06 -1.2e-06 -0.0 ] [ 1.6e-06 1.16e-05 2.9e-06 ] [ 1.81e-05 -3.5e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.194981970496e-14 -1.073458335936e-14 -2.227025502912e-14 ] [ -1.137545400768e-14 -3.2043532416e-16 1.634220153216e-14 ] [ 1.76239428288e-15 -1.92261194496e-15 0.0 ] [ 2.56348259328e-15 1.858524880128e-14 4.646312200320001e-15 ] [ 2.899939683648e-14 -5.6076181728e-15 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.147671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.946271447337016e-18 } }