{ "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" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1432269 -14.7319174 1.9388361 ] [ -1.7383675 4.0801886 -10.2136596 ] [ -2.4857651 12.3720403 7.772303 ] [ 6.93875 -18.1984487 4.8907736 ] [ -3.8578443 16.4781372 -4.388253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.831651426540254e-09 -2.360313383229803e-08 3.106357896575687e-09 ] [ -2.785171789804995e-09 6.537182837233171e-09 -1.636408675874978e-08 ] [ -3.982634760832673e-09 1.982219388356635e-08 1.24526022589681e-08 ] [ 1.11171031191675e-08 -2.915712928218768e-08 7.835883184104063e-09 ] [ -6.180947995070086e-09 2.640088639368618e-08 -7.030756420680401e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.555306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.900581467920004e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4547001 -0.2967687 2.063701 ] [ 0.0062562 1.839169 0.9546363 ] [ -0.5085657 2.7564024 3.2134789 ] [ 2.8120309 0.3673537 2.3066369 ] [ 2.3138945 2.5682184 1.324221 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.547001e-11 -2.967687e-11 2.063701e-10 ] [ 6.2562e-13 1.839169e-10 9.546363e-11 ] [ -5.085657e-11 2.7564024e-10 3.2134789e-10 ] [ 2.8120309e-10 3.673537e-11 2.3066369e-10 ] [ 2.3138945e-10 2.5682184e-10 1.324221e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 2.56e-05 1.05e-05 ] [ -2.48e-05 1.53e-05 -4.97e-05 ] [ -2.55e-05 -1.6e-05 3.92e-05 ] [ 4.43e-05 -1.09e-05 1.88e-05 ] [ 2.03e-05 -1.4e-05 -1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.29111258662e-14 4.10157218304e-14 1.6822854657e-14 ] [ -3.97339805232e-14 2.45133025002e-14 -7.96281787098e-14 ] [ -4.0855504167e-14 -2.5634826144e-14 6.280532405279998e-14 ] [ 7.09764248862e-14 -1.74637253106e-14 3.012092071919999e-14 ] [ 3.252418567019999e-14 -2.243047287599999e-14 -3.012092071919999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92701089696631e-18 } }