{ "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" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1776138 -16.5750885 -2.0887687 ] [ -12.9260212 8.7909013 -9.4906504 ] [ -13.8978545 6.3532581 8.1304612 ] [ 16.5119744 -2.1000469 -6.1722647 ] [ 9.1342875 3.530976 9.6212225 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.886745298691447e-09 -2.655621928239094e-08 -3.346576377398809e-09 ] [ -2.070976896660516e-08 1.408457653862033e-08 -1.520569818706617e-08 ] [ -2.226681755918007e-08 1.017904159372823e-08 1.302643485096151e-08 ] [ 2.64550993469281e-08 -3.364646045763516e-09 -9.889058199729125e-09 ] [ 1.463474188016568e-08 5.657247195805901e-09 1.541489775301493e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.183642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.150946326459695e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0094892 -0.4143914 1.4233264 ] [ 0.4455758 2.6352735 0.1358034 ] [ -0.0751142 1.6644887 2.4434365 ] [ 2.6224494 1.3466192 0.5090286 ] [ 2.3659156 2.295742 2.8695425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0094892e-10 -4.143914e-11 1.4233264e-10 ] [ 4.455758e-11 2.6352735e-10 1.358034e-11 ] [ -7.51142e-12 1.6644887e-10 2.4434365e-10 ] [ 2.6224494e-10 1.3466192e-10 5.090286000000001e-11 ] [ 2.3659156e-10 2.295742e-10 2.8695425e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.6e-06 -2.58e-05 1.06e-05 ] [ -1.4e-06 3.56e-05 -4.7e-06 ] [ -3.76e-05 -8.6e-06 1.14e-05 ] [ 2.12e-05 -2.03e-05 -3.05e-05 ] [ 1.03e-05 1.91e-05 1.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217654231808e-14 -4.133615681664e-14 1.698307218048e-14 ] [ -2.24304726912e-15 5.703748770048e-14 -7.53023011776e-15 ] [ -6.024184094208e-14 -1.377871893888e-14 1.826481347712e-14 ] [ 3.396614436096001e-14 -3.252418540224e-14 -4.88663869344e-14 ] [ 1.650241919424e-14 3.060157345728e-14 2.114873139456e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.4498528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.033380336376142e-18 } }