{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3141825 -1.5773967 -0.7741295 ] [ -0.1519123 -1.9842559 2.0301465 ] [ -4.2013686 0.7847609 4.3104168 ] [ -3.4166443 3.056998 -1.9221375 ] [ 1.7044588 -2.7711438 -6.559555 ] [ 6.378581 -6.3069961 5.6770253 ] [ 0.0010679 8.7980336 -2.7617666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.03375856164496e-10 -2.527268114467072e-09 -1.240292186371594e-09 ] [ -2.433903354719558e-10 -3.179128412664463e-09 3.252653259098947e-09 ] [ -6.731334546283228e-09 1.257325566897967e-09 6.906049022863549e-09 ] [ -5.474067619049582e-09 4.897850725432359e-09 -3.07960376446296e-09 ] [ 2.730844040476823e-09 -4.439861809234871e-09 -1.050956566385174e-08 ] [ 1.021961335207908e-08 -1.010492169889678e-08 9.095597211350107e-09 ] [ 1.71096441335232e-12 1.409600374293286e-08 -4.424837878626306e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.591146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.857106312947944e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9055863 1.6606122 2.4968924 ] [ 1.9723658 1.4368799 4.8821986 ] [ 2.7471973 3.8260951 5.4913283 ] [ 0.9421512 3.8405959 2.2474945 ] [ 4.1049912 2.7269817 2.5922304 ] [ 4.5134504 2.0183717 4.8522183 ] [ 2.9054908 4.7438405 3.2829584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9055863e-10 1.6606122e-10 2.4968924e-10 ] [ 1.9723658e-10 1.4368799e-10 4.8821986e-10 ] [ 2.7471973e-10 3.8260951e-10 5.4913283e-10 ] [ 9.421512e-11 3.8405959e-10 2.2474945e-10 ] [ 4.1049912e-10 2.7269817e-10 2.5922304e-10 ] [ 4.5134504e-10 2.0183717e-10 4.8522183e-10 ] [ 2.9054908e-10 4.7438405e-10 3.2829584e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 1.2e-06 -1e-06 ] [ 3.88e-05 1.32e-05 4.8e-06 ] [ 5.6e-06 8e-06 -1.2e-06 ] [ 2.86e-05 -3.3e-06 -7.4e-06 ] [ -2e-05 1.64e-05 1.17e-05 ] [ -3.25e-05 -2.08e-05 -9.6e-06 ] [ -1.78e-05 -1.47e-05 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-15 1.92261194496e-15 -1.6021766208e-15 ] [ 6.216445288704e-14 2.114873139456e-14 7.69044777984e-15 ] [ 8.972189076479999e-15 1.28174129664e-14 -1.92261194496e-15 ] [ 4.582225135488e-14 -5.28718284864e-15 -1.185610699392e-14 ] [ -3.2043532416e-14 2.627569658112e-14 1.874546646336e-14 ] [ -5.207074017599999e-14 -3.332527371264e-14 -1.538089555968e-14 ] [ -2.851874385024e-14 -2.355199632576e-14 4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }