{ "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" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.361164 2.5796789 6.0946233 ] [ -3.0891579 -3.8165135 4.7536688 ] [ 9.3551486 7.6860912 -3.4723243 ] [ -6.7450314 -7.0378914 -0.4469457 ] [ 1.8402047 0.5886348 -6.9290221 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.180825137874612e-09 4.133101222751061e-09 9.764662963842946e-09 ] [ -4.949376565339625e-09 -6.114728702667581e-09 7.616217014386391e-09 ] [ 1.498860037102985e-08 1.231447562597662e-08 -5.563276813295726e-09 ] [ -1.080673161564189e-08 -1.127594506080938e-08 -7.160859513070905e-10 ] [ 2.948332947826278e-09 9.430969147492838e-10 -1.110151721362652e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1916638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.317962363413688e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1003819 2.036063 1.6222104 ] [ 3.4367878 2.8340822 5.2908606 ] [ 0.3475082 2.7432862 2.7601531 ] [ 0.2529351 4.3588642 4.2511251 ] [ 3.6268213 2.6310214 3.1104468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1003819e-10 2.036063e-10 1.6222104e-10 ] [ 3.4367878e-10 2.8340822e-10 5.2908606e-10 ] [ 3.475082e-11 2.7432862e-10 2.7601531e-10 ] [ 2.529351e-11 4.358864200000001e-10 4.251125100000001e-10 ] [ 3.6268213e-10 2.6310214e-10 3.1104468e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5363124 0.249627 0.6180423 ] [ 0.2507684 0.0986603 0.2523341 ] [ -0.1270593 0.0576752 -0.2794962 ] [ -0.2965917 0.0610472 0.1394202 ] [ -0.3634298 -0.4670096 -0.7303004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.592671887251379e-10 3.999465433204416e-10 9.9021292372546e-10 ] [ 4.017752677154227e-10 1.580712260611142e-10 4.042837956506093e-10 ] [ -2.035714399152134e-10 9.240585703996417e-11 -4.478022772424409e-10 ] [ -4.751922876633274e-10 9.780839660530177e-11 2.233757849072602e-10 ] [ -5.822787288620199e-10 -7.482318628091598e-10 -1.170070227040888e-09 ] ] } "relaxed-potential-energy" { "source-value" -10.118905 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.621227301909622e-18 } }