{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Be" "Be" ] } "a" { "source-value" [ 3.6402 3.396293 3.245129 3.135301 3.048989 2.977878 2.917406 2.864801 2.81825 2.776501 2.738656 2.704047 2.672164 2.642609 2.615064 2.589274 2.565027 2.542151 2.520498 2.499944 2.480383 2.461723 2.443885 2.4268 2.409527 2.391728 2.373369 2.354413 2.33482 2.314547 2.293544 2.271756 2.249124 2.225578 2.201042 2.175429 2.148639 2.120561 2.091062 2.059993 2.027176 1.992403 1.955425 1.915945 1.873598 1.827936 1.778396 1.724255 1.664573 1.598084 1.523033 1.436884 1.335777 1.2134 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.6402e-10 3.3962930000000003e-10 3.245129e-10 3.1353010000000003e-10 3.048989e-10 2.9778780000000004e-10 2.917406e-10 2.864801e-10 2.81825e-10 2.776501e-10 2.7386560000000005e-10 2.704047e-10 2.672164e-10 2.6426090000000005e-10 2.615064e-10 2.589274e-10 2.5650270000000003e-10 2.542151e-10 2.520498e-10 2.4999440000000004e-10 2.480383e-10 2.461723e-10 2.443885e-10 2.4268000000000003e-10 2.409527e-10 2.3917280000000003e-10 2.3733689999999997e-10 2.354413e-10 2.33482e-10 2.314547e-10 2.293544e-10 2.271756e-10 2.2491240000000002e-10 2.225578e-10 2.2010420000000002e-10 2.175429e-10 2.1486390000000002e-10 2.1205609999999999e-10 2.091062e-10 2.059993e-10 2.0271759999999998e-10 1.992403e-10 1.955425e-10 1.9159450000000002e-10 1.8735980000000003e-10 1.827936e-10 1.778396e-10 1.724255e-10 1.664573e-10 1.5980840000000002e-10 1.5230330000000002e-10 1.436884e-10 1.335777e-10 1.2134000000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0.158576 0.813316 1.53184 2.09086 2.45027 2.63416 2.68804 2.71404 2.73812 2.80028 2.89695 3.01253 3.13325 3.24847 3.3509 3.43614 3.50202 3.54802 3.57468 3.58323 3.57435 3.54655 3.5009 3.446 3.38155 3.30611 3.21794 3.11503 2.99493 2.85472 2.69085 2.49902 2.27392 2.00901 1.69606 1.32474 0.88182 0.350208 -0.29253 -1.07624 -2.06522 -3.43328 -5.28032 -7.67978 -10.6256 -14.6747 -22.4872 -34.3791 -50.3592 -79.4571 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 2.5406676191318396e-20 1.303075891258344e-19 2.45427825502656e-19 3.34992703696524e-19 3.92576534099118e-19 4.2203896022174396e-19 4.3067148792573596e-19 4.348371471741359e-19 4.386951885088079e-19 4.48654318465752e-19 4.6414255998663e-19 4.82660517522402e-19 5.020019938480499e-19 5.20462273024998e-19 5.3687336828706e-19 5.505303219152759e-19 5.610854615800679e-19 5.68455474096468e-19 5.72726877002712e-19 5.740967380247819e-19 5.726740051737899e-19 5.6821995413127e-19 5.6090601779705995e-19 5.521100680764e-19 5.417840396702699e-19 5.296972191433739e-19 5.15570827761396e-19 4.99082828020902e-19 4.79840686646562e-19 4.5737656806124795e-19 4.3112169955989e-19 4.0038714518986794e-19 3.64322149158528e-19 3.2187888794723397e-19 2.7173877018620395e-19 2.12246747412516e-19 1.41283139939388e-19 5.61095074639872e-20 -4.6868473074402e-20 -1.72432658057616e-19 -3.30884722806948e-19 -5.50072099397952e-19 -8.460005324042879e-19 -1.230436407026052e-18 -1.70240880422304e-18 -2.35114614509598e-18 -3.60284664040848e-18 -5.50813907179494e-18 -8.06843335469328e-18 -1.273043090254014e-17 ] } }