{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2801786 -9.6319036 0.588597 ] [ -3.543011 5.1994405 -4.344391 ] [ -7.3437402 7.6994238 2.0185482 ] [ 3.7910317 -5.915283 -1.3003922 ] [ 0.272443 -0.2272078 -0.4346968 ] [ 10.3041799 4.6393894 -2.2306758 ] [ 1.7992752 -1.7638593 5.7030105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.459778706568476e-09 -1.543201076171935e-08 9.430363524730177e-10 ] [ -5.676529391437229e-09 8.330422010340662e-09 -6.960481691813932e-09 ] [ -1.176596885766912e-08 1.23358368059911e-08 3.234070733997923e-09 ] [ 6.073902358451679e-09 -9.477328128015687e-09 -2.083457980710678e-09 ] [ 4.365018051006144e-10 -3.640270252234023e-10 -6.964610500965735e-10 ] [ 1.650911613229728e-08 7.433121231467339e-09 -3.573936615344337e-09 ] [ 2.882756659825245e-09 -2.826014132840653e-09 9.13723009127692e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.909077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.7478268123907e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.228788 1.643984 3.2006215 ] [ 3.2077691 4.0497244 0.7732357 ] [ 2.0183452 4.218883 2.9997083 ] [ 3.4032719 1.6577559 0.959881 ] [ 4.914644 1.846275 2.9799641 ] [ 4.704202 4.4211707 2.7790376 ] [ 3.6062669 3.1878601 4.8334349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.228788e-10 1.643984e-10 3.2006215e-10 ] [ 3.2077691e-10 4.0497244e-10 7.732357e-11 ] [ 2.0183452e-10 4.218883e-10 2.9997083e-10 ] [ 3.4032719e-10 1.6577559e-10 9.59881e-11 ] [ 4.914644e-10 1.846275e-10 2.9799641e-10 ] [ 4.704202000000001e-10 4.4211707e-10 2.7790376e-10 ] [ 3.6062669e-10 3.1878601e-10 4.8334349e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 1.64e-05 1.18e-05 ] [ 7.4e-06 7.5e-06 3.6e-06 ] [ 2.2e-05 -1.18e-05 -1.04e-05 ] [ -6.7e-06 -5.2e-06 -2.1e-06 ] [ 2.1e-06 0.0 -6.9e-06 ] [ -2.57e-05 -1.6e-06 1e-06 ] [ -7.1e-06 -5.3e-06 3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 2.627569658112e-14 1.890568412544e-14 ] [ 1.185610699392e-14 1.2016324656e-14 5.76783583488e-15 ] [ 3.52478856576e-14 -1.890568412544e-14 -1.666263685632e-14 ] [ -1.073458335936e-14 -8.33131842816e-15 -3.36457090368e-15 ] [ 3.36457090368e-15 0.0 -1.105501868352e-14 ] [ -4.117593915456e-14 -2.56348259328e-15 1.6021766208e-15 ] [ -1.137545400768e-14 -8.491536090240001e-15 4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.023701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727497574168958e-18 } }