{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.9134761e-10 7.647659e-11 4.2913757e-10 ] [ 1.0410127e-10 2.9470286e-10 4.204646e-10 ] [ 2.5750029e-10 4.2971163e-10 3.0410494e-10 ] [ 4.3941826e-10 2.8560024e-10 -1.63456e-12 ] [ 3.984214500000001e-10 7.65237e-11 3.1764243e-10 ] [ 4.3535893e-10 2.9303468e-10 2.3336912e-10 ] ] "source-value" [ [ 1.9134761 0.7647659 4.2913757 ] [ 1.0410127 2.9470286 4.204646 ] [ 2.5750029 4.2971163 3.0410494 ] [ 4.3941826 2.8560024 -0.0163456 ] [ 3.9842145 0.765237 3.1764243 ] [ 4.3535893 2.9303468 2.3336912 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.7779324718464e-13 -5.37978865732224e-12 4.84305948935424e-12 ] [ -6.26226754005888e-12 1.073458335936e-12 7.199060210240641e-12 ] [ 2.38740338265408e-12 1.98541726849536e-12 -6.857956807672321e-12 ] [ 4.61170518531072e-12 2.93727039891264e-12 -1.81350371708352e-12 ] [ 4.237757162016e-13 9.322424885786881e-12 -6.20795375261376e-12 ] [ -7.8282349692288e-13 -9.938622014146559e-12 2.83729457777472e-12 ] ] "source-value" [ [ -0.0002358 -0.0033578 0.0030228 ] [ -0.0039086 0.00067 0.0044933 ] [ 0.0014901 0.0012392 -0.0042804 ] [ 0.0028784 0.0018333 -0.0011319 ] [ 0.0002645 0.0058186 -0.0038747 ] [ -0.0004886 -0.0062032 0.0017709 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.08301065299815e-18 "source-value" -13.00113 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.532173658844637e-08 -2.239281032537486e-08 4.767186813299635e-10 ] [ -8.686503200830869e-09 7.808920409629732e-09 2.420282097698971e-08 ] [ -2.666752649767947e-08 4.092591228308937e-08 -9.552617611780321e-09 ] [ 1.336886293315991e-08 -4.786336829359747e-09 -3.763700657359158e-08 ] [ 2.49121686540827e-08 -3.832430077015225e-08 1.563212230122195e-08 ] [ 2.23947346997141e-08 1.676861539238541e-08 6.877962225830278e-09 ] ] "source-value" [ [ -15.804585 -13.976493 0.2975444 ] [ -5.4216889 4.8739448 15.1062128 ] [ -16.644561 25.5439455 -5.962275 ] [ 8.344188 -2.9873965 -23.491172 ] [ 15.5489528 -23.9201473 9.7568034 ] [ 13.9776941 10.4661466 4.2928864 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.637407202950095e-18 "source-value" 10.219892 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.735137e-10 1.403924e-10 2.79869e-10 ] [ 2.045924e-10 2.694064e-10 4.682831e-10 ] [ 2.274394e-10 3.585822e-10 2.431289e-10 ] [ 3.715465e-10 2.312241e-10 1.138099e-10 ] [ 3.875208e-10 1.089856e-10 3.316209e-10 ] [ 4.615350000000001e-10 3.47459e-10 2.663723e-10 ] ] "source-value" [ [ 1.735137 1.403924 2.79869 ] [ 2.045924 2.694064 4.682831 ] [ 2.274394 3.585822 2.431289 ] [ 3.715465 2.312241 1.138099 ] [ 3.875208 1.089856 3.316209 ] [ 4.61535 3.47459 2.663723 ] ] } "instance-id" 1 }